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Molecule
2-Aminophenol
CAS: 95-55-6 · C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 95-55-6
- Molecular Formula
- C6H7NO
- Molecular Mass
- 109.13 g/mol
Identifiers
CAS Registry Number
95-55-6
SMILES
Nc1ccccc1O
InChI Key
CDAWCLOXVUBKRW-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
Names and Synonyms
- 2-Aminophenol Synonym
- Phenol, 2-amino- Synonym
- Phenol, o-amino- Synonym
- 2-Aminophenol Synonym
- C.I. 76520 Synonym
- o-Aminophenol Synonym
- BASF Ursol 3GA Synonym
- Benzofur GG Synonym
- C.I. Oxidation Base 17 Synonym
- Fouramine OP Synonym
- Nako Yellow 3GA Synonym
- Paradone Olive Green B Synonym
- Pelagol 3GA Synonym
- Pelagol Grey GG Synonym
- Zoba 3GA Synonym
- o-Hydroxyaniline Synonym
- o-Hydroxyphenylamine Synonym
- 1-Amino-2-hydroxybenzene Synonym
- 1-Hydroxy-2-aminobenzene Synonym
- 2-Hydroxyaniline Synonym
- 2-Hydroxybenzenamine Synonym
- o-Aminohydroxybenzene Synonym
- Rodol 2G Synonym
- NSC 1534 Synonym
- NSC 226261 Synonym
- (2-Hydroxyphenyl)amine Synonym
- 2-Amino-1-hydroxybenzene Synonym
- 2-Aminophenyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 109.13 g/mol | CAS Common Chemistry |
| 109.12799999999999 g/mol | RDKit | |
| 109.128 g/mol | RDKit | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.328 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Aminophenol | CAS Common Chemistry |
| Boiling Point | 100 °C @ Press: 1 x 10-3-3 x 10-3 Torr | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CDAWCLOXVUBKRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170-174 °C | CAS Common Chemistry |
| Name | 2-Aminophenol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.9743999999999999 | RDKit |
| 0.9744 | RDKit | |
| Molar Refractivity | 32.5192 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 109.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 109.13 g/mol; density = 1.330 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7NO.
